4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C8H9N3O — CID 126618268

IUPAC4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCCc1ncnc2c1CC(=O)N2
InChIInChI=1S/C8H9N3O/c1-2-6-5-3-7(12)11-8(5)10-4-9-6/h4H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyJAPZTHNTRXVSPW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.53
Rot. Bonds1

About 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 126618268) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID126618268
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCCc1ncnc2c1CC(=O)N2
InChIInChI=1S/C8H9N3O/c1-2-6-5-3-7(12)11-8(5)10-4-9-6/h4H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyJAPZTHNTRXVSPW-UHFFFAOYSA-N
XLogP0.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 59421424
4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 122696588
4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 74787751
4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione
CID 171611550
4-[methyl-[(3R,4R)-4-methylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 67965299
ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 123908456
4-ethyl-7,8-dihydro-6H-quinazolin-5-one
CID 122697023
4,6-diethyl-5-methylpyrimidine
CID 56994655
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 91663888
4-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonamide;hydrochloride
CID 178174069
6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine
CID 178174084
6-ethyl-7,9-dihydropurin-8-one
CID 130251294

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 126618268) is 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CCc1ncnc2c1CC(=O)N2.
What is the InChIKey of 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is JAPZTHNTRXVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-6-5-3-7(12)11-8(5)10-4-9-6/h4H,2-3H2,1H3,(H,9,10,11,12).
What are the key properties of 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 163.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 126618268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).